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	hartrees
Energy at 0K	-302.543938
Energy at 298.15K	-302.553575
HF Energy	-301.948565
Nuclear repulsion energy	242.394133

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3644	3518	29.95
2	A	3177	3067	12.04
3	A	3121	3013	8.89
4	A	3026	2921	0.28
5	A	1667	1609	202.31
6	A	1567	1513	39.35
7	A	1537	1484	2.60
8	A	1516	1463	14.37
9	A	1478	1427	52.35
10	A	1199	1158	1.08
11	A	1175	1135	5.00
12	A	1168	1128	9.69
13	A	895	864	7.32
14	A	491	473	8.16
15	A	324	313	53.53
16	A	227	219	1.53
17	A	162	156	0.21
18	A	46	44	0.15
19	B	3639	3513	11.68
20	B	3177	3066	7.54
21	B	3122	3013	81.48
22	B	3025	2920	145.76
23	B	1580	1525	255.55
24	B	1550	1497	55.38
25	B	1525	1472	124.32
26	B	1488	1436	14.53
27	B	1282	1238	311.30
28	B	1178	1137	6.35
29	B	1170	1130	29.26
30	B	1021	985	0.46
31	B	714	689	16.71
32	B	694	670	22.06
33	B	489	472	294.12
34	B	334	323	33.92
35	B	120	115	16.88
36	B	61	59	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.098
O2	0.000	0.000	1.373
N3	0.000	1.182	-0.664
N4	0.000	-1.182	-0.664
C5	-0.071	2.508	0.000
C6	0.071	-2.508	0.000
H7	-0.220	1.129	-1.655
H8	0.220	-1.129	-1.655
H9	0.454	3.250	-0.623
H10	-0.454	-3.250	-0.623
H11	0.429	2.424	0.975
H12	-0.429	-2.424	0.975
H13	-1.113	2.836	0.168
H14	1.113	-2.836	0.168

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2756	1.4062	1.4062	2.5105	2.5105	2.0967	2.0967	3.3600	3.3600	2.6137	2.6137	3.0470	3.0470
O2	1.2756		2.3555	2.3555	2.8597	2.8597	3.2396	3.2396	3.8412	3.8412	2.4941	2.4941	3.2760	3.2760
N3	1.4062	2.3555		2.3639	1.4845	3.7496	1.0164	2.5244	2.1179	4.4556	2.1011	3.9845	2.1599	4.2510
N4	1.4062	2.3555	2.3639		3.7496	1.4845	2.5244	1.0164	4.4556	2.1179	3.9845	2.1011	4.2510	2.1599
C5	2.5105	2.8597	1.4845	3.7496		5.0172	2.1592	4.0065	1.1021	5.8042	1.0985	5.0401	1.1056	5.4752
C6	2.5105	2.8597	3.7496	1.4845	5.0172		4.0065	2.1592	5.8042	1.1021	5.0401	1.0985	5.4752	1.1056
H7	2.0967	3.2396	1.0164	2.5244	2.1592	4.0065		2.3011	2.4531	4.5057	3.0026	4.4260	2.6517	4.5628
H8	2.0967	3.2396	2.5244	1.0164	4.0065	2.1592	2.3011		4.5057	2.4531	4.4260	3.0026	4.5628	2.6517
H9	3.3600	3.8412	2.1179	4.4556	1.1021	5.8042	2.4531	4.5057		6.5636	1.7987	5.9611	1.8031	6.1723
H10	3.3600	3.8412	4.4556	2.1179	5.8042	1.1021	4.5057	2.4531	6.5636		5.9611	1.7987	6.1723	1.8031
H11	2.6137	2.4941	2.1011	3.9845	1.0985	5.0401	3.0026	4.4260	1.7987	5.9611		4.9242	1.7888	5.3652
H12	2.6137	2.4941	3.9845	2.1011	5.0401	1.0985	4.4260	3.0026	5.9611	1.7987	4.9242		5.3652	1.7888
H13	3.0470	3.2760	2.1599	4.2510	1.1056	5.4752	2.6517	4.5628	1.8031	6.1723	1.7888	5.3652		6.0923
H14	3.0470	3.2760	4.2510	2.1599	5.4752	1.1056	4.5628	2.6517	6.1723	1.8031	5.3652	1.7888	6.0923

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	120.536	C1	N3	H7	118.992
C1	N4	C6	120.536	C1	N4	H8	118.992
O2	C1	N3	122.804	O2	C1	N4	122.804
N3	C1	N4	114.392	N3	C5	H9	109.034
N3	C5	H11	107.928	N3	C5	H13	112.176
N4	C6	H10	109.034	N4	C6	H12	107.928
N4	C6	H14	112.176	C5	N3	H7	118.185
C6	N4	H8	118.185	H9	C5	H11	109.646
H9	C5	H13	109.520	H10	C6	H12	109.646
H10	C6	H14	109.520	H11	C5	H13	108.499
H12	C6	H14	108.499

All results from a given calculation for NH(CH₃)CONH(CH₃) (Urea, N,N'-dimethyl-)

using model chemistry: MP2/SDD

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for NH(CH3)CONH(CH3) (Urea, N,N'-dimethyl-)

using model chemistry: MP2/SDD

States and conformations

All results from a given calculation for NH(CH₃)CONH(CH₃) (Urea, N,N'-dimethyl-)